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新聞與活動(dòng)學(xué)術(shù)成果
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Computational Prediction of Mutational Effects on SARS-CoV-2 Binding by Relative Free Energy CalculationsJ. Chem. Inf. Model. 2020, 60, 12, 5794–5802期刊：Journal of Chemical Information and Modeling
作者：Junjie Zou/Jian Yin et al.
時(shí)間：2020-07-28
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Prediction of the Relative Free Energies of Drug Polymorphs Above Zero KelvinCryst. Growth Des.?2020, 20, 8, 5211–5224期刊：Crystal Growth and Design
作者：Mingjun Yang et al.
時(shí)間：2020-07-01
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Computational Insights into Kinetic Hindrance Affecting Crystallization of Stable Forms of Active Pharmaceutical IngredientsCryst. Growth Des.?2020, 20, 3, 1512–1525期刊：Crystal Growth and Design
作者：Yuriy Abramov et al.
時(shí)間：2020-01-30
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Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methodsChem. Sci., 2020,11, 2200-2214期刊：Chemical Science
作者：Peiyu Zhang et al.
時(shí)間：2020-01-14
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Guiding Lead Optimization for Solubility Improvement with Physics-Based ModelingMol. Pharmaceutics 2020, 17, 2, 666–673 Publication Date:January 13, 2020期刊：Molecular pharmaceutics
作者：Mingjun Yang et al.
時(shí)間：2020-01-13
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Optimal Designs for Pairwise Calculation: an Application to Free Energy Perturbation in Minimizing Prediction VariabilityJanuary 30, 2020 Pages 247-257期刊：Journal of Computational Chemistry
作者：Shuai Liu/Mingjun Yang
時(shí)間：2019-11-13
